Structure database (LMSD)

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LM IDLMFA01020230
Common NameIsotricosanoic acid
Systematic Name21-methyl-docosanoic acid
Synonyms-
Exact Mass
354.3498 (neutral)    Calculate m/z:
FormulaC23H46O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDAT ID5135
PubChem CID5312322
PlantFA ID10208
InChIKeyBQKXBLINRIKSGC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C23H46O2/c1-22(2)20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23(24)25/h22H,3-21H2,1-2H3,(H,24,25)
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SMILES
C(CCCCCCCCCCCCCCCCCCCC(C)C)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds20
 van der Waals
Molecular Volume
421.40Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP8.14Molar
Refractivity
110.20